CAS 898780-78-4

1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)-

Description:

1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)-, also known by its CAS number 898780-78-4, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two distinct aromatic substituents: a 3-chloro-4-fluorophenyl group and a 3,5-dimethylphenyl group. The presence of halogen atoms, such as chlorine and fluorine, in the aromatic ring can influence the compound's reactivity and polarity, potentially enhancing its biological activity. The dimethyl substitution on the second aromatic ring contributes to steric hindrance, which may affect the compound's interactions in chemical reactions or biological systems. This compound is likely to be a solid or liquid at room temperature, depending on its molecular weight and structure. Its unique combination of functional groups may make it of interest in pharmaceutical research or as an intermediate in organic synthesis. However, specific safety and handling information should be consulted, as with all chemical substances.

Formula: C₁₇H₁₆ClFO

InChI: InChI=1/C17H16ClFO/c1-11-7-12(2)9-13(8-11)3-6-17(20)14-4-5-16(19)15(18)10-14/h4-5,7-10H,3,6H2,1-2H3

InChI key: InChIKey=RIDWWRXZXMBCSD-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=CC(Cl)=C(F)C=C1)C2=CC(C)=CC(C)=C2

Synonyms:

• 1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)-
• 3′-Chloro-3-(3,5-dimethylphenyl)-4′-fluoropropiophenone